HRID2314027

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID7972

4-Methylmorpholine

C5H11NO

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID83372

Dimethylsulphamoyl chloride

C2H6ClNO2S

结构：NCc1ccc(C(c2cc(F)ccc2F)S(=O)(=O)c2ccc(Cl)cc2)nc1

HCID23114559

未命名化合物

PRODUCTS

生成物

结构：CN(C)S(=O)(=O)NCc1ccc(C(c2cc(F)ccc2F)S(=O)(=O)c2ccc(Cl)cc2)nc1

HCID59750939

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-853da1b82f6d4739b67ff222bc293f03
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH3:32][N:33]1[CH2:34][CH2:35][O:36][CH2:37][CH2:38]1.[CH3:39][N:40]([S:41](=[O:42])(=[O:43])[Cl:44])[CH3:45].[CH3:46][N:47]([CH3:48])[c:49]1[cH:50][cH:51][n:52][cH:53][cH:54]1.[Cl:1][CH2:2][Cl:3].[Cl:5][c:6]1[cH:7][cH:8][c:9]([S:12](=[O:13])(=[O:14])[CH:15]([c:16]2[cH:17][cH:18][c:19]([CH2:22][NH2:23])[cH:20][n:21]2)[c:24]2[c:25]([F:31])[cH:26][cH:27][c:28]([F:30])[cH:29]2)[cH:10][cH:11]1.[ClH:4].[OH2:55]>>[Cl:5][c:6]1[cH:7][cH:8][c:9]([S:12](=[O:13])(=[O:14])[CH:15]([c:16]2[cH:17][cH:18][c:19]([CH2:22][NH:23][S:41]([N:40]([CH3:39])[CH3:45])(=[O:42])=[O:43])[cH:20][n:21]2)[c:24]2[c:25]([F:31])[cH:26][cH:27][c:28]([F:30])[cH:29]2)[cH:10][cH:11]1